SCHEMBL10951024

SCHEMBL10951024

CCc1ccccc1C(=S)OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
CLCN2 P51788 1/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
F2R P25116 1/20 0.39

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
SCHEMBL18889553 0.82 ALDH1A1 (0.41) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL12814074 0.82 GABRA1 (0.39) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL11801059 0.82 KDM4E (0.43) ALDH1A1GAAMAPTLMNAKMT2A
SCHEMBL2449734 0.80 LIPG (0.49) ALDH1A1LMNAKMT2ATSHR
SCHEMBL7020791 0.79 TSHR (0.49) ALDH1A1MAPTLMNAHTTTSHR
SCHEMBL2119853 0.79 ALDH1A1 (0.44) ALDH1A1GAALMNAHTTCLCN2
SCHEMBL7336817 0.78 LMNA (0.41) ALDH1A1LMNAKMT2AHPGD
SCHEMBL5831001 0.78 KMT2A (0.42) ALDH1A1LMNAHTTKMT2AGABRA1
SCHEMBL156281 0.78 ALDH1A1 (0.66) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL6575706 0.77 GABRA1 (0.44) ALDH1A1GAAMAPTHTTCLCN2

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-4521614-A Carbonylation of monoolefins RHONE-POULENC CHIMIE DE BASE (FR) 1985-06-04 US claimed