SCHEMBL19400207

SCHEMBL19400207

O=C(C=Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ KDM4E B2RXH2 6/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ MAOB P27338 4/20 0.60
▸ HPGD P15428 4/20 0.60
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ TRPV1 Q8NER1 2/20 0.59
▸ LMNA P02545 1/20 0.56
▸ GPR183 P32249 2/20 0.54
▸ ITGB2 P05107 1/20 0.54
▸ ICAM1 P05362 1/20 0.54
▸ ITGAL P20701 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ CTSD P07339 1/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX5 P09917 1/20 0.51

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
SCHEMBL19400203 0.89 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19400202 0.88 MEN1 (0.73) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19400200 0.87 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL16599446 0.83 GPR183 (0.78) MEN1KMT2ANPC1RAB9AGPR183
SCHEMBL16599445 0.83 GPR183 (0.78) MEN1KMT2ANPC1RAB9AGPR183
SCHEMBL19412472 0.82 GPR183 (0.65) MEN1KMT2AGPR183
SCHEMBL19400208 0.82 GPR183 (0.73) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17340485 0.80 MAOB (0.67) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29817180 0.79 LMNA (0.70) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8912670 0.78 ALDH1A1 (0.73) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US claimed
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