SCHEMBL9244918

SCHEMBL9244918

O=C/C=C(\c1ccc2cccccc1-2)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ PDK2 Q15119 3/20 0.36

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
SCHEMBL9244924 1.00 BCAT2 (0.40) BCAT2MEN1KMT2ASMN1; SMN2HDAC4
SCHEMBL9249226 0.85 RXRA (0.34) BCAT2MEN1KMT2ASMN1; SMN2HDAC4
SCHEMBL9249216 0.85 RXRA (0.34) BCAT2MEN1KMT2ASMN1; SMN2HDAC4
SCHEMBL13674402 0.78 TACR1 (0.33) BCAT2MEN1KMT2ASMN1; SMN2HDAC4
SCHEMBL28602884 0.76 BCAT2 (0.44) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5163372 0.74 CES1 (0.50) BCAT2MEN1KMT2ASMN1; SMN2HDAC4
SCHEMBL30805663 0.73 BCAT2 (0.42) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL4412147 0.73 CES1 (0.48) TSHRRECQLALDH1A1HSD17B10
SCHEMBL9472924 0.73 BCAT2 (0.53) BCAT2MEN1KMT2ASMN1; SMN2HDAC4
SCHEMBL9249909 0.72 RXRA (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588915-A4 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS. UNIV HAWAII (US) 1995-05-31 — — EP disclosed
EP-0588915-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1994-03-30 — — EP disclosed
US-5235076-A Anticarcinogenic agents UNIVERSITY OF HAWAII (US) 1993-08-10 — — US disclosed
WO-1992021643-A1 AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS UNIVERSITY OF HAWAII (US) 1992-12-10 — — WO disclosed
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