SCHEMBL9348248

SCHEMBL9348248

COc1ccc(OCC(C)Oc2ccc(SC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1B1 Q16678 2/20 0.49
GAA P10253 1/20 0.43
CYP2C9 P11712 2/20 0.42
TSHR P16473 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SLC6A4 P31645 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL418159 0.88 CYP2C9 (0.52) GAACYP2C9TSHRMTNR1AMTNR1B
SCHEMBL9343776 0.81 NQO1 (0.50) CYP1A2GAACYP2C9TSHRMTNR1A
SCHEMBL8436949 0.81 LMNA (0.52) GAACYP2C9TSHRMTNR1AMTNR1B
SCHEMBL9348566 0.81 NQO1 (0.50) CYP1A2GAACYP2C9TSHRMTNR1A
SCHEMBL8436935 0.81 LMNA (0.52) GAACYP2C9TSHRMTNR1AMTNR1B
SCHEMBL9344357 0.81 NQO1 (0.50) CYP1A2GAACYP2C9TSHRMTNR1A
SCHEMBL9345650 0.80 MAPT (0.46) CYP2C9TSHRMTNR1AMTNR1BALDH1A1
SCHEMBL9343769 0.79 ALDH1A1 (0.48) GAACYP2C9TSHRMTNR1AMTNR1B
SCHEMBL6843190 0.79 APP (0.49) CYP2C9TSHRMTNR1AMTNR1BALDH1A1
SCHEMBL23182681 0.77 MAPT (0.45) CYP1A1CYP1A2CYP1B1CYP2C9TSHR

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
EP-0357409-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 1994-07-20 EP disclosed
EP-0357409-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-07 EP disclosed