SCHEMBL8539102

SCHEMBL8539102

CCC(C)c1ccccc1C(C(=O)O)C(O)=S

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
PPARA Q07869 1/20 0.44
SRC P12931 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6950812 0.82 SRC (0.43) TSHRSRCHTTLMNAGAA
Hydrogen Peroxide SCHEMBL3675725 0.80 TSHR (0.74) TSHRPPARAKDM4EHTTPOLB
SCHEMBL8538648 0.79 HTT (0.41) SRCHTTPOLBLMNAGAA
SCHEMBL8538406 0.75 GABRA1 (0.42) TSHRSRCHTTLMNAGAA
SCHEMBL8538797 0.75 CYSLTR2 (0.43) PPARASRC
SCHEMBL994607 0.75 TSHR (0.73) TSHRKDM4EHTTLMNA
SCHEMBL8536459 0.75 SRC (0.43) SRCPOLBLMNAGAAHPGD
SCHEMBL10696233 0.73 TSHR (0.53) TSHRPPARAKDM4EPOLBGAA
SCHEMBL8539857 0.72 KMT2A (0.50) SRCHTTPOLBLMNAGAA
Phosphoric Acid SCHEMBL27503648 0.72 TSHR (0.63) TSHRPPARAKDM4EHTTALDH1A1

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