SCHEMBL6936800

SCHEMBL6936800

CC(=O)N[C@](N)(C[NH])Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RECQL P46063 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
MMP8 P22894 3/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
CTRB1 P17538 1/20 0.36

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
SCHEMBL6936802 0.85 ALDH1A1 (0.50) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL6514301 0.74 ALDH1A1 (0.65) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL5403337 0.73 SMN1; SMN2 (0.50) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL27696066 0.73 ALDH1A1 (0.51) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL25846939 0.73 ALDH1A1 (0.54) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL28168069 0.73 ALDH1A1 (0.67) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL3458059 0.72 ALDH1A1 (0.50) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL2331138 0.71 ALDH1A1 (0.53) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL8583261 0.71 ALDH1A1 (0.53) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2
SCHEMBL8410894 0.71 ALDH1A1 (0.53) ALDH1A1RECQLSMN1; SMN2HIF1ACYP1A2

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-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed