SCHEMBL11780784

SCHEMBL11780784

ClCC1(c2ccccc2)C=CC=CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HDAC4 P56524 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
SCHEMBL31173773 0.82 CA1 (0.32)
SCHEMBL7453568 0.81 GAA (0.34) MAOAMAOBTAAR1HDAC4
SCHEMBL27501736 0.81 TSHR (0.35) MAOAMAOBTAAR1HDAC4
SCHEMBL27889476 0.81 MAOB (0.42) MAOAMAOBTAAR1
SCHEMBL42288 0.81 MAOB (0.42) MAOAMAOBTAAR1
SCHEMBL11265347 0.81 MAOB (0.31) MAOAMAOBTAAR1HDAC4
SCHEMBL28798142 0.81 MAOB (0.42) MAOAMAOBTAAR1
SCHEMBL9750269 0.80 MAOA (0.37) MAOAMAOB
Ethane SCHEMBL27995166 0.80 MEN1 (0.34)
SCHEMBL3953873 0.79 TSHR (0.33) HDAC4

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
US-4001130-A DETERGENTS, SUBSTITUTED BUTADIENES HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed