SCHEMBL1122749

SCHEMBL1122749

C=C(C(=O)O)C1CCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
SRD5A2 P31213 1/20 0.39
HSD11B1 P28845 3/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 2/20 0.35
RECQL P46063 1/20 0.35
HSD11B2 P80365 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A1 P30531 1/20 0.33
SLC6A11 P48066 1/20 0.33

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
SCHEMBL221713 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4599659 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL642121 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL791540 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL399595 0.97 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29207086 0.95 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4962068 0.92
Acrylic Acid SCHEMBL1715031 0.89 LMNA (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL20838334 0.86 SMN1; SMN2 (0.39) CES2CES1TSHRSMN1; SMN2POLB
SCHEMBL26124 0.86

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545441-B1 LIPSTICK COMPRISING A SEQUENCED POLYMER OREAL (FR) 2011-02-09 EP claimed
EP-1545440-B1 COSMETIC COMPOSITION COMPRISING A SEQUENCED POLYMER AND A PLASTICIZER OREAL (FR) 2010-11-17 EP claimed
EP-1545438-B1 NON-TRANSFER COSMETIC COMPOSITION COMPRISING A SEQUENCED POLYMER OREAL (FR) 2010-11-17 EP claimed
EP-0590573-B1 Resin for plastic lens HITACHI CHEMICAL CO LTD (JP) 1998-01-07 EP claimed