SCHEMBL10592199

SCHEMBL10592199

O=S(=O)(OCCCCO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.41
CA2 P00918 4/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTR6 P50406 1/20 0.37
MAPK1 P28482 1/20 0.37
PSIP1 O75475 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL5151407 0.96 CA2 (0.41) PARLCA2TSHRSMN1; SMN2ESR2
SCHEMBL4685859 0.94 PARL (0.42) PARLCA2TSHRSMN1; SMN2ALDH1A1
SCHEMBL5945104 0.90 PARL (0.47) PARLCA2TSHRSMN1; SMN2ALDH1A1
Octanol SCHEMBL28415415 0.89 ABCB1 (0.44) CA2TSHRALDH1A1MAPK1HPGD
SCHEMBL14779172 0.88 PARL (0.46) PARLCA2SMN1; SMN2ALDH1A1TDP1
SCHEMBL14779590 0.88 PARL (0.46) PARLCA2SMN1; SMN2ALDH1A1TDP1
SCHEMBL30555660 0.86 PARL (0.44) PARLCA2TSHRSMN1; SMN2ALDH1A1
SCHEMBL3447513 0.86 PARL (0.44) PARLCA2TSHRSMN1; SMN2ALDH1A1
SCHEMBL14778910 0.86 PARL (0.47) PARLCA2TSHRSMN1; SMN2ALDH1A1
Butyl Alcohol SCHEMBL27267358 0.86 ABCB1 (0.44) CA2TSHRALDH1A1MAPK1HPGD

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-4849396-A Heat-sensitive recording material JUJO PAPER CO., LTD. (JP) 1989-07-18 US disclosed
US-4729983-A SATURATED HIGHER FATTY ACID IRON SALT, POLYVALENT PHENOL JUJO PAPER CO., LTD. (JP) 1988-03-08 US disclosed