SCHEMBL28042751

SCHEMBL28042751

CCC(CCl)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ANPEP P15144 2/20 0.38
▸ ERAP1 Q9NZ08 2/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL8100431 0.87 TP53 (0.46) TSHRTP53SIGMAR1POLBALDH1A1
SCHEMBL9426583 0.87 TP53 (0.46) TSHRTP53SIGMAR1POLBALDH1A1
SCHEMBL9734639 0.82 SIGMAR1 (0.47) TSHRTP53SIGMAR1POLBALDH1A1
SCHEMBL1678858 0.80 TSHR (0.43) TSHRKDM4EMEN1KMT2APOLB
SCHEMBL20553745 0.80 HTR2A (0.46) ALDH1A1ANPEPERAP1ERAP2TAAR1
SCHEMBL18685979 0.80 TDP1 (0.52) TSHRKDM4EMEN1KMT2AHPGD
SCHEMBL9466936 0.80 HTR2A (0.46) ALDH1A1ANPEPERAP1ERAP2TAAR1
SCHEMBL11821207 0.79 TRPA1 (0.47) TP53SIGMAR1TAAR1
SCHEMBL18863925 0.78 TSHR (0.39) TSHRMEN1KMT2ATP53SIGMAR1
SCHEMBL8095896 0.77 SIGMAR1 (0.46) TSHRTP53SIGMAR1POLBALDH1A1

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
CN-103764683-B The manufacture method of modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber combination and tire ASAHI KASEI CHEMICALS CORP. (JP) 2016-01-20 — — CN disclosed
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