SCHEMBL9036347

SCHEMBL9036347

[CH2]CCCCCNCCCCCCc1ccc(OCCCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ S1PR1 P21453 8/20 0.51
▸ S1PR3 Q99500 6/20 0.51
▸ S1PR5 Q9H228 1/20 0.51
▸ S1PR2 O95136 5/20 0.50
▸ LPAR2 Q9HBW0 2/20 0.50
▸ CNR1 P21554 2/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ DRD2 P14416 2/20 0.48
▸ DRD4 P21917 2/20 0.48

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
SCHEMBL7475398 0.92 S1PR1 (0.52) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL58833 0.91 LMNA (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8733409 0.91 LMNA (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL6200177 0.91 LMNA (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL7465256 0.91 LMNA (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL6199890 0.90 MEN1 (0.59) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL7329668 0.87 LMNA (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL7321345 0.87 LMNA (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL1353239 0.87 ALDH1A1 (0.63) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL6324073 0.87 LMNA (0.55) MEN1USP2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 — — EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 — — US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 — — US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 — — EP disclosed
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