SCHEMBL10466621

SCHEMBL10466621

CCCn1c(C)c([C@@H](C)[C@@H](N)C(=O)OC)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.48
▸ PSEN2 P49810 6/20 0.48
▸ APH1B Q8WW43 6/20 0.48
▸ NCSTN Q92542 6/20 0.48
▸ APH1A Q96BI3 6/20 0.48
▸ PSENEN Q9NZ42 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ PLA2G2A P14555 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAOB P27338 1/20 0.38

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
SCHEMBL10466593 0.94 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10468849 0.89 CNR2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10467761 0.79 CCR1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10468538 0.78 KDM4E (0.48) ALDH1A1KDM4E
SCHEMBL10465937 0.73 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27693251 0.73 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10467514 0.73 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10467315 0.69 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL10467254 0.68 CTSL (0.42) ALDH1A1KDM4EPLA2G2ACA1GAA
SCHEMBL10465938 0.67 CNR2 (0.41) ALDH1A1HSD17B10KDM4EHPGD

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
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 — — US disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 — — US disclosed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 — — EP disclosed
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