SCHEMBL12835262

SCHEMBL12835262

CCCCCCNC(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.74
REN P00797 1/20 0.58
DPP7 Q9UHL4 2/20 0.56
RRM1 P23921 1/20 0.56
NAAA Q02083 1/20 0.54
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
TSHR P16473 1/20 0.53
EPHX1 P07099 8/20 0.51
EPHX2 P34913 2/20 0.51
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50

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
SCHEMBL20657427 1.00 METAP2 (0.74) METAP2RENDPP7RRM1NAAA
SCHEMBL20657428 1.00 METAP2 (0.74) METAP2RENDPP7RRM1NAAA
SCHEMBL7355197 0.85 METAP2 (1.00) METAP2RENNAAATSHREPHX1
Hydrochloric Acid SCHEMBL7359465 0.84 METAP2 (0.97) METAP2RENNAAATSHREPHX1
Hydrochloric Acid SCHEMBL10607147 0.83 EPHX2 (0.54) METAP2RENTSHREPHX2CHRNB2
SCHEMBL5843085 0.80 METAP2 (0.48) METAP2RENALDH1A1KMT2ACHRNB2
SCHEMBL5842745 0.80 METAP2 (0.48) METAP2RENALDH1A1KMT2ACHRNB2
SCHEMBL20657573 0.79 METAP2 (0.48) METAP2RENDPP7TSHRALDH1A1
SCHEMBL20657575 0.79 METAP2 (0.48) METAP2RENDPP7TSHRALDH1A1
SCHEMBL3911175 0.79 REN (0.48) METAP2RENDPP7CHRNB2CHRNB4

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
WO-2011024887-A1 CONJUGATE CONTAINING CYCLIC PEPTIDE AND METHOD FOR PRODUCING SAME 国立大学法人 岡山大学 (JP) 2011-03-03 WO disclosed