SCHEMBL8908209

SCHEMBL8908209

C=CC[C](C=C)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
GPR52 Q9Y2T5 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HNF4A P41235 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 1/20 0.36
BCL2L1 Q07817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL26133281 0.80 BCAT2 (0.44) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL10717203 0.79 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8605196 0.76 BCAT2 (0.41) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8605191 0.76 BCAT2 (0.41) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11284290 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11630587 0.76 CA1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL10628115 0.74 CES2 (0.42) MEN1KMT2AGPR52ALDH1A1TSHR
SCHEMBL8773282 0.73 BCAT2 (0.48) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL708730 0.72 AKT1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL5180034 0.72 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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-0767791-A1 ARYL, ALKYL, ALKENYL AND ALKYNYLMACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1997-04-16 EP disclosed