SCHEMBL9679709

SCHEMBL9679709

O=C(O)CCCC=C[C@H]1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGFR P43088 3/20 0.36
PTGER3 P43115 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TBXA2R P21731 2/20 0.35
TBXAS1 P24557 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
SCHEMBL9680323 0.82 CYP2C9 (0.40) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL9678848 0.82 CYP2C9 (0.40) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL5739403 0.82 CYP2C9 (0.40) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL28395791 0.82 CYP2C9 (0.40) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL9738098 0.80 EHMT2 (0.46) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL9737057 0.75 CYP2C9 (0.46) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL30480079 0.75 CYP2C9 (0.46) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL9737464 0.75 CYP2C9 (0.46) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL24741355 0.75 KMT2A (0.45) CYP2C9CYP2C19EHMT2MEN1KMT2A
SCHEMBL5739207 0.75 KMT2A (0.45) CYP2C9CYP2C19EHMT2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095118-A PROCESS FOR THE PREPARATION OF D-(+)-BIOTIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-10 US disclosed
EP-0242686-B1 PROCESS FOR THE PREPARATION OF D-(+)-BIOTINE MERCK PATENT GmbH (DE) 1992-01-29 EP disclosed
US-4937351-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-26 US disclosed
US-4877882-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
US-4837402-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-06-06 US disclosed
US-4732987-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-22 US disclosed
EP-0242686-A2 Process for the preparation of D-(+)-biotine MERCK PATENT GmbH (DE) 1987-10-28 EP disclosed