SCHEMBL2816724

SCHEMBL2816724

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.61
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 2/20 0.49
LTA4H P09960 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
LDHA P00338 1/20 0.47
STAT3 P40763 1/20 0.46

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
SCHEMBL31303707 0.87 ALOX15 (0.59) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2817780 0.87 ALOX15 (0.59) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2817244 0.85 ALOX15 (0.62) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2563160 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL28040080 0.83 ALOX15 (0.55) ALOX15ALDH1A1MAPK1MEN1KMT2A
SCHEMBL25299267 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL2817317 0.83 NPC1 (0.50) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2815127 0.83 ALOX15 (0.59) ALOX15NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL357406 0.82 PTGS1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL2815756 0.82 ALOX15 (0.65) ALOX15LTA4H

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 14 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-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-20130281411-A1 COMPOSITIONS FOR TREATING INFLAMMATORY 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
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