SCHEMBL9623012

SCHEMBL9623012

COc1ccc(CSC2CCN(CCCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.56
TDP1 Q9NUW8 1/20 0.45
ABCB1 P08183 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
GAA P10253 3/20 0.38
QRFPR Q96P65 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
EBP Q15125 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
EBPL Q9BY08 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9366603 0.89 CPT1B (0.55) CPT1BTDP1ALDH1A1KDM4EGAA
SCHEMBL9622863 0.88 CPT1B (0.57) CPT1BTDP1ALDH1A1KDM4EQRFPR
SCHEMBL9623027 0.88 CPT1B (0.74) CPT1BTDP1ALDH1A1KDM4EGAA
SCHEMBL9622223 0.87 CPT1B (0.56) CPT1BTDP1ALDH1A1KDM4ELMNA
SCHEMBL9622314 0.86 CPT1B (0.69) CPT1BTDP1ALDH1A1KDM4EQRFPR
SCHEMBL9622237 0.84 CPT1B (0.54) CPT1BTDP1ALDH1A1KDM4EGAA
SCHEMBL9622860 0.84 CPT1B (0.50) CPT1BTDP1ALDH1A1KDM4EGAA
SCHEMBL9015995 0.84 CPT1B (0.74) CPT1BTDP1ALDH1A1KDM4EGAA
SCHEMBL9622843 0.80 CPT1B (0.46) CPT1BTDP1ALDH1A1KDM4EGAA
SCHEMBL9622218 0.80 CPT1B (0.54) CPT1BTDP1ALDH1A1KDM4EGAA

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed