SCHEMBL9037019

SCHEMBL9037019

CCCCC(CCCC)CC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PDK1 Q15118 1/20 0.34
PDE8B O95263 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL28533970 0.93 ALDH1A1 (0.44) EPHX1ALDH1A1PDK1PDE8BSMN1; SMN2
SCHEMBL476913 0.81 ALDH1A1 (0.49) EPHX1ALDH1A1SMN1; SMN2TDP1
SCHEMBL18833108 0.81 NOS1 (0.36) EPHX1SMN1; SMN2USP2TP53HPGD
SCHEMBL27732568 0.77 EPHX1 (0.37) EPHX1ALDH1A1SMN1; SMN2USP2TP53
SCHEMBL4347775 0.77 ALDH1A1 (0.55) EPHX1ALDH1A1SMN1; SMN2TDP1
SCHEMBL3684346 0.75 USP2 (0.38) EPHX1ALDH1A1SMN1; SMN2USP2TP53
SCHEMBL13283249 0.75 EPHX1 (0.63) EPHX1ALDH1A1PDK1PDE8BSMN1; SMN2
SCHEMBL2716830 0.75 EPHX1 (0.63) EPHX1ALDH1A1PDK1PDE8BSMN1; SMN2
SCHEMBL10850965 0.73 EPHX1 (0.47) EPHX1ALDH1A1PDK1PDE8BTDP1
SCHEMBL5922580 0.73 EPHX1 (0.61) EPHX1ALDH1A1PDK1PDE8BSMN1; SMN2

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