SCHEMBL28099378

SCHEMBL28099378

Cc1c(C(=O)O)cccc1C(=O)O.Cc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.60
POLB P06746 2/20 0.56
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MYC P01106 2/20 0.51
MEN1 O00255 1/20 0.50
AKR1B10 O60218 1/20 0.50
TRPA1 O75762 1/20 0.50
ABCB11 O95342 1/20 0.50
DHFR P00374 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM1 P11229 1/20 0.50
AKR1B1 P15121 1/20 0.50

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
SCHEMBL257403 0.91 AKR1C3 (0.67) AKR1C3POLBCYP3A4CYP2C9KMT2A
2-Benzoylbenzoic Acid SCHEMBL15641067 0.89 AKR1C3 (0.77) AKR1C3POLBCYP3A4CYP2C9KMT2A
SCHEMBL11326106 0.89 CYP3A4 (0.61) AKR1C3POLBCYP3A4CYP2C9KMT2A
Benzophenone SCHEMBL27968650 0.89 AKR1C3 (0.63) AKR1C3POLBCYP3A4CYP2C9KMT2A
SCHEMBL29402362 0.89 AKR1C3 (0.61) AKR1C3POLBKMT2AALDH1A1HPGD
SCHEMBL9451511 0.89 AKR1C3 (0.61) AKR1C3POLBKMT2AALDH1A1HPGD
Benzene SCHEMBL27600962 0.89 AKR1C3 (0.61) AKR1C3POLBKMT2AALDH1A1HPGD
SCHEMBL236 0.89 AKR1C3 (0.61) AKR1C3POLBKMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL28594496 0.87 AKR1C3 (0.59) AKR1C3POLBKMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL27617106 0.87 AKR1C3 (0.59) AKR1C3POLBKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847337-A Ostomy device 科洛普拉斯特公司 2018-03-27 CN disclosed
CN-107428909-A Switchable polyurethane-based adhesives 卢敏纳粘合剂公司 2017-12-01 CN disclosed
CN-107249519-A Ostomy appliance 科洛普拉斯特公司 2017-10-13 CN disclosed
CN-106010311-A Switchable Adhesives 卢敏纳粘合剂公司 2016-10-12 CN disclosed
CN-103249795-B Switchable adhesives 卢敏纳粘合剂公司 2016-08-31 CN disclosed