SCHEMBL9580934

SCHEMBL9580934

C=C(C)Cc1ccccc1.[CH]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.48
CES2 O00748 1/20 0.48
AKR1B1 P15121 1/20 0.48
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL531194 0.97 CES1 (0.50) CES1CES2AKR1B1TSHRTP53
Benzene SCHEMBL9806260 0.97 CES1 (0.50) CES1CES2AKR1B1TSHRTP53
SCHEMBL11339635 0.97 CES1 (0.50) CES1CES2AKR1B1TSHRTP53
SCHEMBL9809316 0.95 CES1 (0.48) CES1CES2AKR1B1TSHRTP53
SCHEMBL28794288 0.89 CES2 (0.43) CES1CES2AKR1B1TSHRTP53
SCHEMBL28977318 0.84 LMNA (0.57) TSHRALDH1A1MEN1KMT2A
SCHEMBL6015468 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL10695897 0.82 CYP3A4 (0.49) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL20262937 0.80 SLC7A5 (0.39) ALDH1A1NOS2
SCHEMBL5932002 0.79 AGXT (0.47)

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-5227234-A Asphalt substrate sheet, having crystalline polyolefin particles on its surface, which exhibits tackiness upon heating MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-13 US disclosed
EP-0470589-A2 Thermal adhesive vibration damping sheets MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-02-12 EP disclosed