SCHEMBL9790802

SCHEMBL9790802

Oc1ccccc1C(F)(F)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 3/20 0.52
CA2 P00918 4/20 0.43
LMNA P02545 4/20 0.43
ALOX15 P16050 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 2/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
MAPT P10636 2/20 0.43
MMP9 P14780 2/20 0.43
HPGD P15428 2/20 0.43
CA4 P22748 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
CA5A P35218 2/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL9790793 0.85 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL4204805 0.81 TSHR (0.38) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL69460 0.79 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL30475078 0.79 TSHR (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL7190832 0.79 TSHR (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL23202728 0.79 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL29492110 0.79 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL9850834 0.79 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
Ammonia Solution, Strong SCHEMBL28699487 0.77 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCA2LMNA
Potassium SCHEMBL29898272 0.77 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCA2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071812-A Catalyst comprising the reaction product of a tungsten or molybdenum salt and a borohydride SHELL OIL COMPANY (US) 1991-12-10 US claimed
CN-1045267-A The polymerization process of huge norbornene derivative and the polymkeric substance that makes thus SHELL INT RESEARCH (NL) 1990-09-12 CN claimed
CN-1045267-A The polymerization process of huge norbornene derivative and the polymkeric substance that makes thus SHELL INT RESEARCH (NL) 1990-09-12 CN disclosed
CN-1043136-A The polymerization of cyclenes SHELL INT RESEARCH (NL) 1990-06-20 CN disclosed