SCHEMBL8935461

SCHEMBL8935461

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCO)O2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.65
MAPT P10636 3/20 0.63
LMNA P02545 3/20 0.63
USP2 O75604 2/20 0.63
CYP2C9 P11712 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
GSTP1 P09211 1/20 0.63
TTPA P49638 1/20 0.63
THRB P10828 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALOX5 P09917 6/20 0.60
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP4F2 P78329 1/20 0.55
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8935467 1.00 NR1I2 (0.65) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL4271100 1.00 NR1I2 (0.65) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL30859422 1.00 NR1I2 (0.65) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL8603306 0.91 NR1I2 (0.70) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL3524416 0.89 NR1I2 (0.67) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL27200182 0.89 NR1I2 (0.67) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL23867134 0.88 MAPT (0.63) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL27295634 0.88 MAPT (0.63) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL2176872 0.88 NR1I2 (0.61) NR1I2MAPTLMNAUSP2CYP2C9
SCHEMBL5672022 0.88 NR1I2 (0.61) NR1I2MAPTLMNAUSP2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0122426-B1 OPTICALLY ACTIVE CHROMAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES BASF Aktiengesellschaft (DE) 1988-01-27 EP claimed
EP-0122426-A2 Optically active chroman derivatives, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1984-10-24 EP claimed
JP-3215481-A None JP disclosed
US-5504219-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1996-04-02 US disclosed
EP-0441116-B1 Process and intermediates for the manufacture of optically active chroman derivatives ASAHI DENKA KOGYO KK (JP) 1995-04-05 EP disclosed
US-5352845-A Process for manufacture of optically active saturated compounds ASAHI DENKA KOGYO K.K. (JP) 1994-10-04 US disclosed
US-5262552-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-11-16 US disclosed
US-5233056-A Optically active chroman derivatives and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-08-03 US disclosed
JP-H03215481-A OPTICALLY ACTIVE CHROMAN-2-ETHANOL DERIVATIVE AND ITS INTERMEDIATE ASAHI DENKA KOGYO KK 1991-09-20 JP disclosed
EP-0441116-A2 Process and intermediates for the manufacture of optically active chroman derivatives ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-08-14 EP disclosed
EP-0122426-B1 OPTICALLY ACTIVE CHROMAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed
US-4645845-A Novel optically active chroman derivatives, their preparation and novel intermediates BASF AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
EP-0122426-A2 Optically active chroman derivatives, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1984-10-24 EP disclosed