SCHEMBL9659902

SCHEMBL9659902

CCO/N=C(\C(=O)O)c1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
PARP1 P09874 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
DRD4 P21917 1/20 0.46

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
SCHEMBL9659910 1.00 CES2 (0.53) CES2CES1PARP1NPC1RAB9A
SCHEMBL9659571 0.87 CES2 (0.48) CES2CES1PARP1NPC1RAB9A
SCHEMBL9659578 0.87 CES2 (0.48) CES2CES1PARP1NPC1RAB9A
SCHEMBL9661064 0.85 CES2 (0.59) CES2CES1PARP1NPC1RAB9A
SCHEMBL9661058 0.85 CES2 (0.59) CES2CES1PARP1NPC1RAB9A
SCHEMBL9658282 0.82 CA12 (0.47) PARP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9658287 0.82 CA12 (0.47) PARP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11541350 0.81 SMN1; SMN2 (0.46) CES2CES1NPC1MEN1KMT2A
SCHEMBL11541352 0.81 SMN1; SMN2 (0.46) CES2CES1NPC1MEN1KMT2A
SCHEMBL7822539 0.77 ERCC5 (0.49) NPC1RAB9ASMN1; SMN2HDAC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079369-A N-acylating agent FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-07 US disclosed
US-4877873-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 US disclosed
US-4871860-A Syn-isomer of 3,7-disubstituted-3-cephem-4-caroxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 US disclosed
US-4804752-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-14 US disclosed
US-4544653-A BACTERICIDAL CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-01 US disclosed
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 US disclosed
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 US disclosed
US-4364943-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-21 US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 US disclosed
US-4316019-A AMIDATION BY A 2-ALKOXYIMINO-2-THIAZOLYLACETIC ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-02-16 US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 US disclosed
US-4166115-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 US disclosed