SCHEMBL29003045

SCHEMBL29003045

CC=CCCC(C)c1ccccc1C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTPN1 P18031 1/20 0.31
GLRA1 P23415 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 2/20 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
SCHEMBL8102570 0.83 SMN1; SMN2 (0.42) ALDH1A1ALOX15TSHRNPC1RAB9A
SCHEMBL8098413 0.77 ALDH1A1 (0.38) ALDH1A1ALOX15TSHRNPC1RAB9A
SCHEMBL8096633 0.77 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRPOLBCYP3A4
SCHEMBL28460666 0.76 TSHR (0.56) SOAT1ALDH1A1ALOX15TSHRNPC1
SCHEMBL8087127 0.76 TSHR (0.55) ALDH1A1ALOX15TSHRNPC1RAB9A
SCHEMBL8093492 0.76 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4HTT
SCHEMBL28458311 0.75 PTGS2 (0.41) ALDH1A1TSHRCYP2C19
SCHEMBL8087646 0.75 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4
SCHEMBL2153533 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRGLRA1CYP3A4
SCHEMBL6905434 0.70 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRGLRA1HTT

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-114790260-B High-modulus, high-impact, wear-resistant and heat-resistant intrinsic flame-retardant polydicyclopentadiene engineering material and preparation method thereof 安徽建筑大学 2023-04-18 CN disclosed