SCHEMBL8460271

SCHEMBL8460271

CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1OC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8463772 0.86 SMN1; SMN2 (0.31) KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6732608 0.85
SCHEMBL8522701 0.84
SCHEMBL8463407 0.83 PSEN1 (0.32) CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A
SCHEMBL8462215 0.82
SCHEMBL8464423 0.81 LMNA (0.33)
SCHEMBL8462974 0.81
SCHEMBL6726265 0.81
SCHEMBL8463163 0.80 MEN1 (0.30) KMT2AALDH1A1MAPK1TDP1
SCHEMBL6721441 0.79 SMN1; SMN2 (0.34) KMT2ACYP1A2CYP2C19SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768033-B1 HERBICIDAL COMPOSITION IDEMITSU KOSAN CO (JP) 1999-12-08 EP disclosed
US-5723408-A NONPHYTOTOXIC SYNERGISTIC MIXTURES IDEMITSU KOSAN CO., LTD. (JP) 1998-03-03 US disclosed
EP-0768033-A1 HERBICIDAL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-04-16 EP disclosed