SCHEMBL10744481

SCHEMBL10744481

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
ATM Q13315 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
BIRC2 Q13490 1/20 0.54
PTPN1 P18031 2/20 0.53
PTPN2 P17706 1/20 0.53
PTPRA P18433 1/20 0.53
PTPN6 P29350 1/20 0.53
PTPN11 Q06124 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL10745859 0.94 TSHR (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10741167 0.91 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL4156603 0.89 ATM (0.65) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL4156601 0.89 ATM (0.65) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10347067 0.89 ALDH1A1 (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10915929 0.89 ALDH1A1 (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10868030 0.89 ALDH1A1 (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10791119 0.88 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10744547 0.88 ALDH1A1 (0.67) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10868472 0.88 BIRC2 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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-4668625-A Process for preparing peptides FARMITALIA CARLO ERBA (IT) 1987-05-26 US claimed
US-4668625-A Process for preparing peptides FARMITALIA CARLO ERBA (IT) 1987-05-26 US disclosed