SCHEMBL8837469

SCHEMBL8837469

CC(=O)SCC(Cc1ccccc1)NC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 1/20 0.50
MME P08473 2/20 0.49
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCC3 O15438 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46
RARG P13631 1/20 0.46
CNR1 P21554 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL7450894 0.85 MME (0.52) FCER2MMECYP3A4MAPK1ALPI
SCHEMBL9587602 0.84 MME (0.48) FCER2MMECYP3A4MAPK1ALPI
SCHEMBL9068533 0.84 MME (0.62) MMECYP3A4MAPK1PAMACE
SCHEMBL9588793 0.83 CYP3A4 (0.46) FCER2MMECYP3A4MAPK1ALPI
SCHEMBL9587952 0.83 MME (0.47) FCER2MMECYP3A4MAPK1ALPI
SCHEMBL7435120 0.81 MME (0.43) FCER2MMECYP3A4MAPK1ALPI
SCHEMBL18576675 0.81 CTRB1 (0.65) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7298881 0.81 MME (0.58) MMECYP3A4MAPK1CYP1A2CYP2D6
SCHEMBL9615085 0.80 CTRB1 (0.51) MMECYP3A4MAPK1SLC7A5CYP1A2
SCHEMBL9587977 0.80 KMT2A (0.59) MMEOPRK1NPC1RAB9A

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-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 US disclosed