SCHEMBL8387254

SCHEMBL8387254

COC(=O)c1cccc(OCCCC#Cc2ccc(C(=O)O)cc2NC(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 8/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PLA2G4B P0C869 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL8591959 0.83 ALDH1A1 (0.48) KMT2ANR1H4ALDH1A1CYP1A2CYP3A4
SCHEMBL8385239 0.80 CYP1A2 (0.41) NR1H4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8384652 0.74 FFAR1 (0.39) NR1H4POLBRAB9A
SCHEMBL1173659 0.74 KDM4E (0.45) ALDH1A1PTPN11RAB9A
SCHEMBL12869586 0.74 KDM4E (0.45) ALDH1A1PTPN11RAB9A
SCHEMBL21630195 0.73 KDM4E (0.44) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL1250767 0.72 KDM4E (0.43) KMT2AALDH1A1CYP2C9MAPTRAB9A
SCHEMBL7532781 0.71 ALDH1A1 (0.49) KMT2AALDH1A1CYP2C9MAPTRAB9A
SCHEMBL1330363 0.70 SMPD1 (0.60) KMT2ANR1H4ALDH1A1CYP1A2CYP3A4
SCHEMBL8386235 0.69 SLC16A3 (0.44) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932743-A Methods for the solid phase synthesis of substituted indole compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US disclosed
WO-1999009007-A1 SOLID PHASE SYNTHESIS OF 2,3-DISUBSTITUTED INDOLE COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-25 WO disclosed