SCHEMBL6131075

SCHEMBL6131075

CC(OP(=O)(O)O)c1ccccc1.O=P(O)(O)OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.44
CYP2D6 P10635 1/20 0.43
FFAR1 O14842 1/20 0.42
LPAR1 Q92633 6/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
FBP1 P09467 1/20 0.38

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
SCHEMBL6131076 0.85 ACP3 (0.41) ACP3CYP2D6FFAR1LPAR1TSHR
SCHEMBL516900 0.83 HCAR2 (0.49) ACP3ALDH1A1ANPEP
SCHEMBL516899 0.83 TSHR (0.53) ACP3CYP2D6LPAR1TSHRANPEP
SCHEMBL6250231 0.81 TSHR (0.52) ACP3CYP2D6LPAR1TSHRANPEP
SCHEMBL11757960 0.81 TSHR (0.52) ACP3CYP2D6LPAR1TSHRANPEP
SCHEMBL17567288 0.75 TSHR (0.46) ACP3CYP2D6TSHRALDH1A1ANPEP
SCHEMBL17573316 0.73 TSHR (0.50) ACP3CYP2D6TSHRALDH1A1ANPEP
SCHEMBL759323 0.73 LMNA (0.53) LPAR1TSHR
SCHEMBL1319783 0.72 TSHR (0.64) ACP3CYP2D6FFAR1TSHRANPEP
SCHEMBL18776475 0.72 ALDH1A1 (0.46) TSHRALDH1A1ANPEPERAP1

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-20050282041-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2005-12-22 US disclosed