SCHEMBL28299894

SCHEMBL28299894

CC([CH]c1cccc2ccccc12)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.41
SMPD2 O60906 1/20 0.40
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
RXRA P19793 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL4819774 0.81 SMPD2 (0.42) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL6027641 0.79 SMPD2 (0.41) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL6707342 0.77 SMPD2 (0.43) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL8325158 0.77 TAAR1 (0.44) SMPD2ALDH1A1F2LMNA
SCHEMBL3243723 0.76 ALDH1A1 (0.45) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL6709477 0.75 SMPD2 (0.39) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL6709427 0.73 ALDH1A1 (0.50) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL10909428 0.71 RIPK1 (0.38) CHATALDH1A1
SCHEMBL7616489 0.70 SMPD2 (0.42) CHATSMPD2ALDH1A1F2LMNA
SCHEMBL11757401 0.69 CHAT (0.39) CHATALDH1A1MTNR1AMTNR1BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492971-B The method of the orientation of block copolymer mesoscopic structure is controlled by random copolymer 阿科玛法国公司 2019-09-10 CN disclosed
CN-105579498-B Method for controlling the period characterizing the morphology obtained from a blend of block copolymers and of (co) polymers of one of the blocks 阿科玛法国公司 2019-06-04 CN disclosed
CN-105980495-B The method for controlling substrate surface energy 阿科玛法国公司 2018-12-25 CN disclosed