SCHEMBL11495372

SCHEMBL11495372

Cc1ccc(C(=O)C2(c3ccc(C)cc3)OCCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RXRA P19793 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
PKM P14618 2/20 0.36
HTT P42858 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
NLRP1 Q9C000 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
NTSR1 P30989 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18790832 0.93 ALDH1A1 (0.42) POLBALDH1A1LMNACES2CES1
SCHEMBL18790761 0.93 POLB (0.36) POLBALDH1A1LMNACES2CES1
SCHEMBL18790760 0.92 CES2 (0.43) POLBALDH1A1LMNACES2CES1
SCHEMBL18790764 0.86 POLB (0.38) POLBALDH1A1LMNACES2CES1
SCHEMBL22872468 0.85 CES2 (0.46) POLBALDH1A1LMNACES2CES1
SCHEMBL18790793 0.85 CES2 (0.46) POLBALDH1A1LMNACES2CES1
SCHEMBL10817611 0.83 ALDH1A1 (0.39) POLBALDH1A1LMNACES2CES1
SCHEMBL18790751 0.83 TPMT (0.38) RXRACYP2D6CYP1A2
SCHEMBL18790464 0.76 POLB (0.35) POLBALDH1A1LMNACES2CES1
SCHEMBL11486312 0.76 CES2 (0.42) POLBALDH1A1CES2CES1SMN1; SMN2

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-4190602-A PHOTOCHEMICAL SENSITIZERS BY REACTION OF SULFUROUS ACID ESTER OR THIONYL CHLORIDE AND A PRIMARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1980-02-26 US disclosed