SCHEMBL11218673

SCHEMBL11218673

CC(Oc1ccc2ccccc2c1C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NCEH1 Q6PIU2 6/20 0.44
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL28423314 0.86 CYP1A2 (0.56) CYP1A2CYP2C19KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL22721692 0.80 RAB9A (0.40) CYP1A2CYP2C19KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL22721693 0.80 RAB9A (0.40) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL979842 0.78 CA12 (0.58) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL5662874 0.77 WDR5 (0.50) KDM4EALDH1A1HPGDHSD17B10FFAR1
Hydrochloric Acid SCHEMBL5403782 0.76 CA12 (0.56) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL914280 0.76 ALDH1A1 (0.55) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL3317320 0.76 ALDH1A1 (0.55) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL1502327 0.75 NCEH1 (0.57) CYP1A2CYP2C19KDM4EALDH1A1MEN1
SCHEMBL17509539 0.75 L3MBTL1 (0.52) KDM4EALDH1A1KMT2ANCEH1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4418942-A WRINKLE RESISTANCE; HYDROPHOBIC SURFACTANTS; LOW GAS PERMEABILITY FUJI PHOTO FILM CO., LTD. (JP) 1983-12-06 US disclosed