SCHEMBL29113544

SCHEMBL29113544

C=C(CC(C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1.CC(CC(C)(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
ESR1 P03372 6/20 0.34
ESR2 Q92731 5/20 0.34
MIF P14174 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL11834731 0.89 SHBG (0.33) SHBG
SCHEMBL733201 0.87 SHBG (0.53) SHBGESR1ESR2LMNACYP1A2
SCHEMBL18139 0.87 SHBG (0.53) SHBGESR1ESR2MIFLMNA
SCHEMBL6523350 0.86 SHBG (0.32) SHBG
SCHEMBL20414723 0.84 SHBG (0.50) SHBGESR1ESR2LMNACYP1A2
SCHEMBL6157069 0.84 SHBG (0.50) SHBGESR1ESR2MIFLMNA
SCHEMBL6280436 0.80 SHBG (0.38) SHBGESR1ESR2PTGS1
SCHEMBL5140991 0.80 SHBG (0.45) SHBGESR1ESR2MIFLMNA
SCHEMBL3419256 0.75 SHBG (0.53) SHBGESR1ESR2LMNACYP1A2
SCHEMBL11245198 0.74 SHBG (0.35) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136215-A Polycarbonate blend compositions with improved weatherability and scratch resistance 科思创有限公司 2023-11-28 CN disclosed
CN-116888214-A Heat-resistant semiconductive thermoplastic resin composition 科思创德国股份有限公司 2023-10-13 CN disclosed