SCHEMBL8848834

SCHEMBL8848834

CC=C(C)Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 5/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.41
CHRM2 P08172 1/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.41
SHBG P04278 1/20 0.40
MAPK8 P45983 1/20 0.40
HTT P42858 2/20 0.39
MAOB P27338 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL14492509 0.85 CTBP2 (0.44) CTBP2TAAR1KMT2AGAAHPGD
SCHEMBL19539009 0.81 TAAR1 (0.47) TAAR1KMT2AALDH1A1NPC1MAPT
SCHEMBL7492800 0.79 CTBP2 (0.50) CTBP2TAAR1KMT2AHPGDALDH1A1
SCHEMBL28961462 0.79 CTBP2 (0.51) CTBP2KMT2AGAAHPGDALDH1A1
SCHEMBL15093945 0.79 CTBP2 (0.51) CTBP2KMT2AGAAHPGDALDH1A1
SCHEMBL15093946 0.79 CTBP2 (0.51) CTBP2KMT2AGAAHPGDALDH1A1
SCHEMBL10325166 0.77 PKM (0.52) CTBP2TAAR1KMT2AALDH1A1NPC1
SCHEMBL15066239 0.77 TAAR1 (0.47) TAAR1ALDH1A1MAOBRAB9AKDM4E
SCHEMBL15067617 0.77 CYP2D6 (0.49) TAAR1MAPTMAPK8
SCHEMBL9729251 0.77 MAOB (0.45) CTBP2TAAR1KMT2AHPGDALDH1A1

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-0594856-B1 PROCESS FOR PRODUCING DIALKYLNAPHTHALENE TEIJIN LTD (JP) 1997-04-02 EP disclosed
US-5365001-A Catalytic cyclization of alkenebenzene in the presence of hydrogen TEIJIN LIMITED (JP) 1994-11-15 US disclosed
EP-0594856-A1 PROCESS FOR PRODUCING DIALKYLNAPHTHALENE TEIJIN LIMITED (JP) 1994-05-04 EP disclosed