SCHEMBL28038418

SCHEMBL28038418

CC1=Cc2ccccc2[CH]1.[Gd]

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL60946 0.97 ACHE (0.40) ACHETSHRLMNAALOX12TDP1
SCHEMBL27387271 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL27477522 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL28003942 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL28099589 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL28216137 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL22499662 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL27451933 0.94 ACHE (0.38) ACHETSHRLMNAALOX12TDP1
SCHEMBL27948586 0.90 TSHR (0.35) ACHETSHRLMNAALOX12
SCHEMBL27843987 0.90 TSHR (0.35) ACHETSHRLMNAALOX12

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-104125967-B For preparing the bulk polymerization of polydiene 株式会社普利司通 2016-11-09 CN disclosed
CN-102112508-B Aromatic ethenyl compound-conjugated diene compound multipolymer and production method thereof and rubber combination and tire BRIDGESTONE CO.,LTD. (JP) 2015-11-25 CN disclosed