SCHEMBL9318445

SCHEMBL9318445

COc1cc(C(=O)O)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.55
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
RARB P10826 5/20 0.49
RARG P13631 5/20 0.49
RARA P10276 4/20 0.49
RXRB P28702 7/20 0.48
RXRG P48443 5/20 0.48
PTGS2 P35354 1/20 0.47
HNF4A P41235 1/20 0.47

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
SCHEMBL9722089 0.88 LMNA (0.50) RXRARARBRARGRARARXRB
SCHEMBL9318566 0.86 RXRA (0.44) RXRAPKMRARBRARGRARA
SCHEMBL20762771 0.80 CA12 (0.56) RXRACA12CA1CA2CA4
SCHEMBL7154575 0.78 RXRA (0.52) RXRARARBRARGRARARXRB
SCHEMBL11213073 0.75 LMNA (0.50) RXRACA12CA1CA2CA4
SCHEMBL9217192 0.75 ACHE (0.42) RXRARARBRARGRARARXRB
SCHEMBL9510915 0.75 RXRA (0.39) RXRARARBRARGRARARXRB
SCHEMBL9319764 0.75 CYP3A4 (0.51) RXRARARBRARGRARACYP26A1
SCHEMBL5846230 0.74 RARG (0.62) RXRARARBRARGRARA
SCHEMBL27054971 0.73 RXRA (0.36) RXRARARBRARGRARARXRB

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-5326900-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
EP-0382078-B1 AROMATIC KETO COMPOUNDS, THEIR PREPARATION AND MEDICINAL AS WELL AS COSMETIC PREPARATIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-5194664-A Aromatic keto compounds, the preparation thereof, and drugs and cosmetics containing these BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0382078-A1 Aromatic keto compounds, their preparation and medicinal as well as cosmetic preparations containing them BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed