SCHEMBL10874231

SCHEMBL10874231

C=C(CC=Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.53
MAOB P27338 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 2/20 0.40
HTR2A P28223 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL1158287 0.78 PAM (0.63) PAMMAOBLMNAMEN1USP2
SCHEMBL1158288 0.78 PAM (0.63) PAMMAOBLMNAMEN1USP2
SCHEMBL4376010 0.76 CES1 (0.43) MAOBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL2241627 0.75 CES1 (0.55) PAMMEN1KMT2AIDO1CES2
SCHEMBL8089036 0.75 PAM (0.59) PAMMAOBCYP3A4IDO1HTR2A
SCHEMBL12015731 0.75 CES1 (0.46) PAMLMNAMEN1KMT2ACYP3A4
SCHEMBL7600250 0.73 PAM (0.57) PAMMAOBIDO1HTR2A
Ammonia Solution, Strong SCHEMBL574785 0.73 CES1 (0.52) PAMMEN1KMT2AIDO1CES2
SCHEMBL278485 0.72 PAM (0.66) PAMMAOBLMNACYP2C9IDO1
SCHEMBL16463 0.72 PAM (0.66) PAMMAOBLMNACYP2C9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198687-A2 Alpha-polyhaloketoximes ROHM AND HAAS COMPANY (US) 1986-10-22 EP disclosed