SCHEMBL9778175

SCHEMBL9778175

C=CCNC(=O)c1ccc(C(=O)NCC=C)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.48
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL14483838 0.85 HPGD (0.55) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL8606998 0.85 ALDH1A1 (0.51) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL5885064 0.82 HPGD (0.68) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL11387797 0.81 HPGD (0.55) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL9778203 0.79 ALOX5 (0.43) HPGDPOLBCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL8701347 0.77 ALOX15 (0.57) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL12006630 0.77 ALDH1A1 (0.55) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL9875991 0.76 CYP1A2 (0.56) POLBCYP1A2MAPTALDH1A1RAB9A
SCHEMBL823157 0.76 CYP1A2 (0.56) CYP1A2MAPTLMNAL3MBTL1MEN1
SCHEMBL9778247 0.75 HPGD (0.59) HPGDPOLBCYP1A2CYP3A4CYP2C19

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-5009934-A Process for preparing poly-(imidesiloxanes) WACKER-CHEMIE GMBH (DE) 1991-04-23 US disclosed