SCHEMBL11520177

SCHEMBL11520177

CC=Cc1ccc(C(C)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1611732 0.83 CYP2C9 (0.46) CYP2C9ALDH1A1TSHRGAAUSP2
SCHEMBL6547448 0.82 RELA (0.48) CYP2C9KDM4ELMNATP53CYP3A4
SCHEMBL10454077 0.82 TAAR1 (0.52) ALDH1A1TSHRKDM4ELMNATP53
SCHEMBL12292333 0.80 CYP2C9 (0.49) CYP2C9ALDH1A1TSHRGAAUSP2
SCHEMBL26650892 0.80 CYP2C9 (0.45) CYP2C9ALDH1A1TSHRKDM4ELMNA
SCHEMBL598140 0.79 ALDH1A1 (0.52) CYP2C9ALDH1A1TSHRGAAUSP2
SCHEMBL1611358 0.78 CYP2C9 (0.46) CYP2C9ALDH1A1TSHRGAAUSP2
SCHEMBL1137519 0.78 TYR (0.56) CYP2C9ALDH1A1TSHRKDM4ELMNA
SCHEMBL11554074 0.78 TYR (0.56) CYP2C9ALDH1A1TSHRKDM4ELMNA
SCHEMBL9405638 0.78 TYR (0.56) CYP2C9ALDH1A1TSHRKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362169-B1 BLOCK COPOLYMERS HAVING AMINE OR PHOSPHINE FUNCTIONALIZED END BLOCKS KRATON POLYMERS US LLC (US) 2025-01-15 EP disclosed
US-9364825-B2 Block copolymers, their manufacture and their use KRATON POLYMERS U.S. LLC (US) 2016-06-14 US disclosed
US-20150290637-A1 BLOCK COPOLYMERS, THEIR MANUFACTURE AND THEIR USE KRATON POLYMERS U.S. LLC (US) 2015-10-15 US disclosed
US-4140514-A HERBICIDES CHEVRON RESEARCH COMPANY (US) 1979-02-20 US disclosed