SCHEMBL8536459

SCHEMBL8536459

Cc1ccccc1C(C(=O)O)C(O)=S

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.43
ACP3 P15309 1/20 0.43
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CTSA P10619 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2D6 P10635 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MYC P01106 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2206363 0.88 SRC (0.50) SRCACP3ESR1ALDH1A1HPGD
SCHEMBL30136352 0.88 SRC (0.50) SRCACP3ESR1ALDH1A1HPGD
SCHEMBL6950812 0.81 SRC (0.43) SRCHPGDLMNAGAASMN1; SMN2
SCHEMBL8536080 0.78 SRC (0.40) SRCALDH1A1HPGDEPHX1L3MBTL1
SCHEMBL27607396 0.78 ACP3 (0.41) SRCACP3ESR1ALDH1A1HPGD
SCHEMBL8539857 0.78 KMT2A (0.50) SRCALDH1A1HPGDLMNAGAA
SCHEMBL8538648 0.78 HTT (0.41) SRCALDH1A1HPGDLMNAGAA
SCHEMBL8536416 0.77 SRC (0.43) SRCACP3ALDH1A1
SCHEMBL600980 0.77 ACP3 (0.40) SRCACP3ESR1ALDH1A1L3MBTL1
SCHEMBL27816341 0.77 MMP8 (0.51) ESR1ALDH1A1LMNAGAAL3MBTL1

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed