SCHEMBL9058043

SCHEMBL9058043

O=C(O)[C@@H](Cc1ccc2ccccc2c1)N1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
SDCBP O00560 2/20 0.47
SDC2 P34741 2/20 0.47
ITGB2 P05107 6/20 0.46
ICAM1 P05362 6/20 0.46
ITGAL P20701 6/20 0.46
DPP4 P27487 1/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6571504 0.86 ALDH1A1 (0.63) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL19621077 0.86 ALDH1A1 (0.63) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL9074064 0.86 ALDH1A1 (0.63) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL9074197 0.85 ALDH1A1 (0.61) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL9070314 0.82 FAAH (0.47) ALDH1A1PKMITGB2ICAM1ITGAL
SCHEMBL20905926 0.81 ALDH1A1 (0.49) MEN1KMT2AALDH1A1PKMITGB2
SCHEMBL9057388 0.80 MC4R (0.51) MEN1KMT2AALDH1A1PKMSDCBP
SCHEMBL20905732 0.80 NR4A2 (0.49) ALDH1A1PKMITGB2ICAM1ITGAL
SCHEMBL9057546 0.80 HRH3 (0.40) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL9073483 0.79 CTNNB1 (0.46) ALDH1A1PKMLMNACA12CA1

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
WO-1996017862-A1 LHRH ANTAGONISTS HAVING LACTAM GROUPS AT THE N-TERMINUS ABBOTT LABORATORIES (US) 1996-06-13 WO disclosed
US-5516759-A LHRH antagonists having lactam groups at the N-terminus TAP HOLDINGS INC. (US) 1996-05-14 US disclosed