SCHEMBL9770958

SCHEMBL9770958

CC(C)(C)OC(=O)[C@@H](CC1CCCCC1)[C@H](O)C(N)(N)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.43
HTRA1 Q92743 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
SYK P43405 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
SCHEMBL9831712 0.84 REN (0.42) RENHTRA1CTSLCTSBCTSS
SCHEMBL27353143 0.80 REN (0.44) RENHTRA1CTSLCTSBCTSS
SCHEMBL7037201 0.80 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL7037199 0.80 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL15619034 0.79 CYP3A4 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL15619033 0.79 CYP3A4 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL7207431 0.76 CTSL (0.40) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL7437518 0.75 CTSB (0.40) RENCTSLCTSBCTSSCTSK
SCHEMBL11020489 0.75 REN (0.43) RENHTRA1CTSLCTSBCTSS
SCHEMBL7294934 0.74 CYP3A4 (0.43) RENCTSLCTSBCTSSCTSK

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-5045537-A Treating Diseases Caused by Retroviruses SANDOZ LTD. (CH) 1991-09-03 US disclosed