SCHEMBL357406

SCHEMBL357406

CCCc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.64
LTA4H P09960 2/20 0.62
TSHR P16473 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
NR3C1 P04150 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
AKT1 P31749 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL431138 0.93 LTA4H (0.59) PTGS1LTA4HTSHRALDH1A1MAPK1
SCHEMBL9588895 0.92 TRPV1 (0.60) PTGS1LTA4HTSHRNPC1RAB9A
SCHEMBL25299267 0.89 NPC1 (0.56) PTGS1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL2357109 0.87 PTGS1 (0.64) PTGS1LTA4HTSHRALDH1A1TRPV1
SCHEMBL5133639 0.87 PTGS1 (0.68) PTGS1LTA4HTSHRNPC1RAB9A
SCHEMBL31303707 0.86 ALOX15 (0.59) PTGS1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL2563160 0.86 NPC1 (0.55) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2817780 0.86 ALOX15 (0.59) PTGS1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL2355789 0.86 PTGS1 (0.62) PTGS1LTA4HTSHRALDH1A1NR3C1
SCHEMBL2817244 0.84 ALOX15 (0.62) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869822-B2 Compositions for treatment of dermatological diseases and conditions and methods of use thereof DermaMedics, LLC (US) 2020-12-22 US disclosed
US-20180235859-A1 Compositions for Treatment of Dermatological Diseases and Conditions and Methods of Use Thereof DermaMedics, LLC 2018-08-23 US disclosed
US-9980887-B2 Compositions for use in treatment of hyperpigmentation and methods of use thereof DermaMedics, LLC (US) 2018-05-29 US disclosed
EP-3238696-A1 METHODS AND COMPOSITIONS FOR TREATING DERMATOLOGICAL DISEASES AND CONDITIONS Therametics, Llc (US) 2017-11-01 EP disclosed
US-9622950-B2 Compositions for use in treatment of dermatological diseases and conditions DermaMedics, LLC (US) 2017-04-18 US disclosed
US-9616006-B2 Methods and compositions for treating dermatological diseases and conditions DermaMedics, LLC (US) 2017-04-11 US disclosed
US-20160346180-A1 Compositions for Use in Treatment of Dermatological Diseases and Conditions and Methods of Use Thereof DERMAMEDICS LLC (US) 2016-12-01 US disclosed
US-20130289006-A1 COMPOSITIONS FOR TREATING HYPERPIGMENTATION AND METHODS OF USE THEREOF DermaMedics, LLC 2013-10-31 US disclosed
US-20130281411-A1 COMPOSITIONS FOR TREATING INFLAMMATORY DERMATOLOGICAL DISEASES AND CONDITIONS AND METHODS OF USE THEREOF DermaMedics, LLC 2013-10-24 US disclosed
US-20130280195-A1 COMPOSITIONS FOR USE IN TREATMENT OF DERMATOLOGICAL DISEASES AND CONDITIONS AND METHODS OF USE THEREOF DermaMedics, LLC 2013-10-24 US disclosed
US-20130274231-A1 COMPOSITIONS FOR USE IN TREATMENT OF DERMATOLOGICAL DISEASES AND CONDITIONS DermaMedics, LLC 2013-10-17 US disclosed
US-20120014883-A1 Compositions Comprising Derivatives Of Essential Oil Compounds And Use In Personal Care Products THE PROCTER & GAMBLE COMPANY 2012-01-19 US disclosed
EP-2244690-A1 METHODS AND COMPOSITIONS FOR TREATING DERMATOLOGICAL DISEASES AND CONDITIONS Therametics, Llc (US) 2010-11-03 EP disclosed
US-20100249244-A1 METHODS AND COMPOSITIONS FOR TREATING DERMATOLOGICAL DISEASES AND CONDITIONS THERAMETICS, LLC 2010-09-30 US disclosed
WO-2009049172-A1 METHODS AND COMPOSITIONS FOR TREATING DERMATOLOGICAL DISEASES AND CONDITIONS THERAMETICS, LLC (US) 2009-04-16 WO disclosed