SCHEMBL8740919

SCHEMBL8740919

CCCCc1c(C)[nH]c(C(=O)OCC)c1C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.68
MAPK1 P28482 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL18825165 0.95 NPSR1 (0.67) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11648790 0.94 NPSR1 (0.65) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11650277 0.94 NPSR1 (0.65) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11648709 0.94 NPSR1 (0.65) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11647653 0.92 MAPK1 (0.70) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11289476 0.85 CYP1A2 (0.53) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL11644037 0.84 CYP1A2 (0.76) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL891168 0.84 MAPK1 (0.83) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL5612750 0.84 NPSR1 (0.74) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL2973335 0.81 MAPK1 (1.00) NPSR1MAPK1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147962-A1 PROCESS FOR BORATE CRYSTALLIZATION AND COMPOSITION U.S. BORAX INC. (US) 2024-07-11 WO disclosed
EP-0684950-A4 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT. BO DEKK VENTURES LTD (US) 1997-10-15 EP disclosed
EP-0684950-A1 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT BO-DEKK VENTURES, LTD. (US) 1995-12-06 EP disclosed
US-5446157-A Boron difluoride compounds useful in photodynamic therapy and production of laser light BO-DEKK VENTURES, LTD. 1995-08-29 US disclosed
WO-1994019355-A1 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT BO-DEKK VENTURES, LTD. (US) 1994-09-01 WO disclosed
US-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 US disclosed