SCHEMBL7441891

SCHEMBL7441891

O=C(O)CNCCC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LTA4H P09960 4/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP19A1 P11511 1/20 0.42
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
FFAR1 O14842 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7434663 0.82 ALDH1A1 (0.42) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL2058361 0.81 ALDH1A1 (0.55) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL5673051 0.80 ALDH1A1 (0.53) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL43742 0.79 KMT2A (0.61) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL11931642 0.79 LTA4H (0.49) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL11183595 0.79 PRSS1 (0.50) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL4896084 0.78 PRSS1 (0.61) KMT2AALDH1A1MAPTLMNAHTT
Adipic Acid SCHEMBL28248016 0.78 PRSS1 (0.57) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL7569171 0.78 PRSS1 (0.57) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL10352222 0.77 CYP19A1 (0.44) KMT2AALDH1A1MAPTLMNAHTT

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
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed