SCHEMBL11512840

SCHEMBL11512840

CCOC(=O)C(N)CCSCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.52
CYP2C19 P33261 2/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
IDO1 P14902 1/20 0.45
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
PIN1 Q13526 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
METAP1 P53582 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL7323491 0.85 METAP2 (0.60) METAP2CYP2C19NPC1SMN1; SMN2RAB9A
SCHEMBL2238552 0.85 METAP2 (0.60) METAP2CYP2C19NPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7323488 0.84 METAP2 (0.59) METAP2CYP2C19NPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL3366424 0.84 METAP2 (0.59) METAP2CYP2C19NPC1SMN1; SMN2RAB9A
SCHEMBL10683855 0.83 LTA4H (0.50) METAP2CYP2C19SMN1; SMN2IDO1ALDH1A1
SCHEMBL2829691 0.82 CYP2C19 (0.61) CYP2C19SMN1; SMN2IDO1ALDH1A1HPGD
SCHEMBL341585 0.82 CYP2C19 (0.61) CYP2C19SMN1; SMN2IDO1ALDH1A1HPGD
SCHEMBL2829688 0.82 CYP2C19 (0.61) CYP2C19SMN1; SMN2IDO1ALDH1A1HPGD
SCHEMBL3712742 0.80 SMN1; SMN2 (0.55) METAP2SMN1; SMN2MMP8PIN1TDP1
SCHEMBL2635410 0.80 SMN1; SMN2 (0.55) METAP2SMN1; SMN2MMP8PIN1TDP1

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-4153729-A ANTILIPEMIC AGENTS RECHERCHES PHARMACEUTIQUES ET SCIENTIFIQUES (FR) 1979-05-08 US disclosed