SCHEMBL27357828

SCHEMBL27357828

C=CCC(C=C)=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
AKR1C3 P42330 1/20 0.41
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
PAM P19021 1/20 0.39
AKR1C1 Q04828 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AKT1 P31749 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 1/20 0.35
ESR1 P03372 1/20 0.35
MCL1 Q07820 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
SCHEMBL27613457 0.85 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3CYP2C19CYP3A4
SCHEMBL5421749 0.84 LMNA (0.53) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL5421752 0.84 LMNA (0.53) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL28334918 0.83 HCAR2 (0.46) ALDH1A1TSHRAKR1C3CYP2C19CYP3A4
SCHEMBL9362768 0.82 GLA (0.46) ALDH1A1TSHRCYP2C9LMNAPAM
SCHEMBL11880042 0.81 ALDH1A1 (0.36) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL16107584 0.80 LMNA (0.41) ALDH1A1TSHRAKR1C3CYP2C19CYP3A4
SCHEMBL18173259 0.79 LMNA (0.47) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2875060 0.79 LMNA (0.47) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL8195699 0.79 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103328426-B Process for producing bisphenol compound MITSUBISHI CHEMICAL CORP. (JP) 2016-04-06 CN disclosed
CN-103483154-A Process for producing bisphenol compound MITSUBISHI CHEM CORP 2014-01-01 CN disclosed
CN-103328426-A Process for producing bisphenol compound MITSUBISHI CHEM CORP 2013-09-25 CN disclosed
CN-102292311-A Process for producing bisphenol compound 2011-12-21 CN disclosed
CN-1073421-A Isoalkane-olefin alkylation process ROHM & HAAS (US) 1993-06-23 CN disclosed