SCHEMBL7349079

SCHEMBL7349079

CCCCCCc1ccc(OCCCCCC=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
S1PR1 P21453 4/20 0.51
S1PR4 O95977 3/20 0.51
S1PR5 Q9H228 3/20 0.51
S1PR3 Q99500 2/20 0.51
S1PR2 O95136 1/20 0.51
NR5A1 Q13285 1/20 0.50
PLA2G4A P47712 1/20 0.49
TSHR P16473 2/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL1667016 1.00 MEN1 (0.57) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL1669767 0.95 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL1669638 0.95 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL28084765 0.92 SMN1; SMN2 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11307472 0.91 NR5A1 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL1667124 0.91 NR5A1 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL5254167 0.91 SMN1; SMN2 (0.56) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9265046 0.91 NR5A1 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11319340 0.91 NR5A1 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8815462 0.91 NR5A1 (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed