SCHEMBL27648478

SCHEMBL27648478

Cc1cccc(C(=O)CC(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
GRM2 Q14416 4/20 0.42
P2RX7 Q99572 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1B10 O60218 1/20 0.40
TRPA1 O75762 1/20 0.40
ABCB11 O95342 1/20 0.40
DHFR P00374 1/20 0.40
LMNA P02545 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL28670539 0.87 CYP2C9 (0.47) F2RESR1ESR2P2RX7MEN1
SCHEMBL13647199 0.85 ERCC5 (0.55) F2RGRM2P2RX7MEN1KMT2A
SCHEMBL3189240 0.82 KDM4E (0.46) F2RGRM2CYP2C9HIF1ATDP1
SCHEMBL16168319 0.81 KDM4E (0.44) F2RGRM2KMT2ACYP3A4CYP2C9
SCHEMBL10770139 0.79 ESR1 (0.46) ESR1ESR2MEN1KMT2AAKR1B10
SCHEMBL30578286 0.79 ESR1 (0.46) ESR1ESR2MEN1KMT2AAKR1B10
SCHEMBL581465 0.79 ESR1 (0.46) ESR1ESR2MEN1KMT2AAKR1B10
SCHEMBL28391695 0.77 ESR1 (0.45) ESR1ESR2MEN1KMT2AAKR1B10
SCHEMBL8744698 0.77 ESR1 (0.45) ESR1ESR2MEN1KMT2AAKR1B10
SCHEMBL5309095 0.76 CTNNB1 (0.46) F2RESR1ESR2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100571771-C The purposes of repeat sequence protein polymers in personal care composition DOW CORNING GENENCOR INTERNAT (US) 2009-12-23 CN disclosed
CN-1774260-A Use of repeat sequence protein polymers in personal care compositions DOW CORNING (US) 2006-05-17 CN disclosed