SCHEMBL29501701

SCHEMBL29501701

C=CCC1(CC=C)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.43
KDM1A O60341 3/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 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
Phenol SCHEMBL9774501 0.91 ESR2 (0.40) SIGMAR1KDM1AMAOBTSHRALDH1A1
SCHEMBL9281778 0.89 SIGMAR1 (0.51) SIGMAR1KDM1ATSHRTP53CYP1A2
SCHEMBL11874561 0.83 SIGMAR1 (0.44) SIGMAR1KDM1A
SCHEMBL4906291 0.82 SIGMAR1 (0.35) SIGMAR1ALDH1A1HTR2A
SCHEMBL28922175 0.79 SIGMAR1 (0.41) SIGMAR1KDM1AMAOBALDH1A1TP53
SCHEMBL4734271 0.79 KDM1A (0.42) SIGMAR1KDM1AMAOBTSHRALDH1A1
SCHEMBL4736099 0.79 KDM1A (0.42) SIGMAR1KDM1AMAOBTSHRALDH1A1
SCHEMBL19130507 0.79 SIGMAR1 (0.41) SIGMAR1KDM1AMAOBTSHRALDH1A1
SCHEMBL7790160 0.77 SIGMAR1 (0.54) SIGMAR1KDM1AMAOB
SCHEMBL9748439 0.77 SIGMAR1 (0.40) SIGMAR1KDM1AMAOBTSHRALDH1A1

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-114316264-B Modified bismaleimide prepolymer, resin composition and application thereof 苏州生益科技有限公司 2023-10-27 CN disclosed
CN-114316264-A Modified bismaleimide prepolymer, resin composition and application thereof 常熟生益科技有限公司 2022-04-12 CN disclosed