SCHEMBL9302997

SCHEMBL9302997

C[C@@](O)(NCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP8 P22894 2/20 0.45
PPID Q08752 1/20 0.45
HTT P42858 1/20 0.44
THRB P10828 1/20 0.43
IDO1 P14902 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 1/20 0.43
OPRK1 P41145 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
SCHEMBL22195174 1.00 RIPK1 (0.50) RIPK1SMN1; SMN2LMNARAB9ACYP1A2
SCHEMBL21538589 0.85 RIPK1 (0.47) RIPK1SMN1; SMN2LMNARAB9ACYP1A2
SCHEMBL24965924 0.82 RIPK1 (0.51) RIPK1SMN1; SMN2LMNARAB9ACYP1A2
SCHEMBL1508717 0.81 RIPK1 (0.56) RIPK1SMN1; SMN2LMNARAB9ACYP1A2
SCHEMBL2540383 0.81 RIPK1 (0.56) RIPK1SMN1; SMN2LMNARAB9ACYP1A2
SCHEMBL1508831 0.81 RIPK1 (0.56) RIPK1SMN1; SMN2LMNARAB9ACYP1A2
Hydrochloric Acid SCHEMBL10481433 0.81 RIPK1 (0.50) RIPK1SMN1; SMN2LMNARAB9AMMP8
SCHEMBL4154636 0.79 IDO1 (0.50) RIPK1SMN1; SMN2LMNARAB9ACYP2D6
SCHEMBL5431000 0.79 IDO1 (0.50) RIPK1SMN1; SMN2LMNARAB9ACYP2D6
SCHEMBL17822177 0.79 LMNA (0.50) RIPK1SMN1; SMN2LMNARAB9ACYP1A2

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-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US disclosed