SCHEMBL28065800

SCHEMBL28065800

CC(C)(C)c1cccc(C(=O)O)c1-c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.47
ALDH1A1 P00352 6/20 0.47
CA2 P00918 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
HMGB1 P09429 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA9 Q16790 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MYC P01106 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7918767 0.83 ALDH1A1 (0.61) ALDH1A1CA2KDM4EHPGDTSHR
SCHEMBL29827780 0.81 ALDH1A1 (0.59) ALDH1A1CA2KDM4EHPGDTSHR
SCHEMBL9153876 0.81 ALDH1A1 (0.59) HNF4AALDH1A1CA2KDM4EHPGD
SCHEMBL3731454 0.81 ALDH1A1 (0.59) ALDH1A1CA2KDM4EHPGDTSHR
Salicylic Acid SCHEMBL29200213 0.78 ALDH1A1 (0.67) HNF4AALDH1A1CA2KDM4EHPGD
SCHEMBL11223178 0.78 MYC (0.53) HNF4AALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL5399387 0.78 HNF4A (0.59) HNF4AALDH1A1CA2KDM4EHPGD
SCHEMBL8729079 0.77 MYC (0.49) HNF4AALDH1A1MYCL3MBTL1LMNA
SCHEMBL28607703 0.76 ALDH1A1 (0.57) ALDH1A1CA2KDM4EHPGDTSHR
SCHEMBL10495887 0.76 PARP1 (0.41) HNF4AALDH1A1CA2KDM4EHPGD

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
CN-104540855-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2016-08-31 CN disclosed