SCHEMBL19412971

SCHEMBL19412971

CCC(C)CC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.45
ANPEP P15144 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HCAR3 P49019 1/20 0.41
MAPK1 P28482 1/20 0.41
GRIA4 P48058 1/20 0.41
FFAR1 O14842 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SRD5A2 P31213 1/20 0.40
RXRG P48443 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL17354919 0.86 MAPT (0.53) MAPTALDH1A1HTTANPEPTP53
SCHEMBL13166437 0.84 MAPT (0.51) MAPTALDH1A1HTTANPEPTP53
Terephthalic Acid SCHEMBL27799191 0.84 MAPT (0.67) MAPTALDH1A1HTTTP53TSHR
Terephthalic Acid SCHEMBL28926617 0.83 MAPT (0.57) MAPTALDH1A1HTTTP53TSHR
SCHEMBL938192 0.82 ALDH1A1 (0.56) MAPTALDH1A1HTTANPEPTP53
SCHEMBL115710 0.79 TSHR (0.56) MAPTALDH1A1HTTANPEPTP53
SCHEMBL14549283 0.79 TSHR (0.56) MAPTALDH1A1HTTANPEPTP53
SCHEMBL18297776 0.79 ESR1 (0.54) MAPTALDH1A1SMN1; SMN2
SCHEMBL10031628 0.79 TSHR (0.56) MAPTALDH1A1HTTANPEPTP53
SCHEMBL27344332 0.77 LMNA (0.50) MAPTALDH1A1HTTANPEPTP53

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-9776208-B2 Brush composition, and method of producing structure containing phase-separated structure TOKYO OHKA KOGYO CO., LTD. (JP) 2017-10-03 US disclosed