SCHEMBL6877913

SCHEMBL6877913

Cc1[c]c2ccccc(-c3ccc(Cl)cc3)c-2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
CYP1A2 P05177 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL714544 0.85 ALDH1A1 (0.40) PTGS2ALDH1A1NPC1RAB9AHPGD
SCHEMBL9862848 0.74 CYP1A2 (0.63) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL31491188 0.72 CYP1A2 (0.60) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL18045052 0.72 CYP1A2 (0.68) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL11151194 0.72 CYP1A2 (0.60) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2937510 0.72 CYP1A2 (0.39) PTGS2SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL712397 0.71 ACHE (0.39) SMN1; SMN2KDM4EALDH1A1HTTNPC1
SCHEMBL1742859 0.70 CYP1A2 (0.74) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL29926517 0.70 CYP1A2 (0.74) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27720551 0.69 PTGS2 (0.49) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825280-B1 RIGIDITY, NONWARPING, NONBLEEDING, ANTISTATIC AGENTS, WEATHERPROOF, IMPACT STRENGTH; OXIDATION AND HEAT RESISTANCE JAPAN POLYCHEM CORPORATION (JP) 2004-11-30 US disclosed
EP-1002814-A1 PROPYLENE BLOCK COPOLYMER AND PROPYLENE RESIN COMPOSITION Japan Polychem Corporation (JP) 2000-05-24 EP disclosed