SCHEMBL29319798

SCHEMBL29319798

Cc1ccc(-c2cc(O)cc(O)c2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
GAA P10253 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
AR P10275 2/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1C4 P17516 2/20 0.36
AKR1C1 Q04828 2/20 0.36
KIF11 P52732 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
SCHEMBL6058551 0.86 AKR1C3 (0.52) AKR1C3AKR1C2HSD17B1HSD17B2PDE3B
SCHEMBL22304413 0.83 AKR1C3 (0.55) AKR1C3AKR1C2GAAPDE3BPDE3A
SCHEMBL24297564 0.81 AKR1C3 (0.54) AKR1C3AKR1C2GAAPDE3BPDE3A
SCHEMBL19323000 0.81 AKR1C3 (0.58) AKR1C3AKR1C2GAAPDE3BPDE3A
SCHEMBL10030392 0.80 GLA (0.54) AKR1C3AKR1C2GAAPDE3BPDE3A
SCHEMBL29320313 0.80 CES2 (0.46) GAAHSD17B1HSD17B2GLAPOLB
SCHEMBL26375483 0.80 AKR1C3 (0.43) AKR1C3AKR1C2GAAPDE3BPDE3A
SCHEMBL4637120 0.78 AKR1C3 (0.51) AKR1C3AKR1C2PDE3BPDE3AAR
SCHEMBL26375428 0.76 AKR1C3 (0.50) AKR1C3AKR1C2PDE3BPDE3AAR
SCHEMBL16255712 0.76 KIF11 (0.53) AKR1C3AKR1C2PDE3BPDE3AAR

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-20240239931-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS CHEMOURS COMPANY FC, LLC, THE 2024-07-18 US disclosed