SCHEMBL28181579

SCHEMBL28181579

CCc1cc(CC)cc(CC)c1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
TP53 P04637 1/20 0.44
TRPA1 O75762 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HSPA5 P11021 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL28806252 0.96 PTGS2 (0.48) PTGS2TP53TRPA1RXRARXRB
SCHEMBL439074 0.96 PTGS2 (0.48) PTGS2TP53TRPA1RXRARXRB
SCHEMBL23202733 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
Bromide SCHEMBL28089964 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
SCHEMBL10945301 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
SCHEMBL23202792 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
SCHEMBL10953135 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
SCHEMBL23202780 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
SCHEMBL10783813 0.92 PTGS2 (0.46) PTGS2TP53TRPA1RXRARXRB
Ethylene SCHEMBL27631401 0.88 PTGS2 (0.43) PTGS2TP53TRPA1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112545901-B One-part dental adhesive composition 株式会社松风 2024-03-22 CN disclosed
CN-110317226-B Silane coupling compounds and curable dental compositions containing the same 株式会社松风 2023-12-19 CN disclosed
CN-110291148-A Rubber composition for conveyor belt, method for producing rubber composition for conveyor belt, and belt conveyor 横滨橡胶株式会社 2019-09-27 CN disclosed
CN-110291147-A Rubber composition, the manufacturing method of rubber composition used for conveyer belt, conveyer belt and belt conveyor used for conveyer belt 横滨橡胶株式会社 2019-09-27 CN disclosed
CN-109384981-A Modified conjugated diene rubber composition and tire 旭化成株式会社 2019-02-26 CN disclosed
CN-109384982-A Modified conjugated diene polymer composition and tire 旭化成株式会社 2019-02-26 CN disclosed
CN-107949586-A Diene polymer, the manufacture method of diene polymer and rubber composition 横滨橡胶株式会社 2018-04-20 CN disclosed
CN-105175582-B Modified conjugated diene polymer, its manufacture method, modified conjugated diene polymer composition and tire 旭化成株式会社 2017-10-17 CN disclosed