SCHEMBL14744374

SCHEMBL14744374

O=C(O)c1ccc(C(=O)O)c2c1C1CCC21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
TSHR P16473 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ACMSD Q8TDX5 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CASP1 P29466 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 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
SCHEMBL668829 0.91 ALDH1A1 (0.44) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL7080684 0.80 CYP1A2 (0.48) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL5482826 0.76 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL812111 0.75 ACMSD (0.53) CYP1A2ACMSDSMN1; SMN2KDM4E
SCHEMBL9618409 0.73 CYP1A2 (0.41) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL9618410 0.73 CYP1A2 (0.41) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL18486812 0.72 ESR2 (0.42) CYP1A2ALDH1A1ALOX15ACMSDKDM4E
SCHEMBL3425168 0.72 ACMSD (0.47) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL1500383 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL4827205 0.67 KMO (0.51) ALDH1A1ALOX15TSHRACMSDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748235-B1 PROCESS FOR PRODUCING MOULDED PARTS BASF SE (DE) 2017-12-20 EP claimed
EP-3827048-A1 POLYMER BLENDS CONTAINING THERMOPLASTIC AND CROSS-LINKED REACTION PRODUCT FROM POLYADDITION OR POLYCONDENSATION Covestro Intellectual Property GmbH & Co. KG (DE) 2021-06-02 EP disclosed
WO-2020020814-A1 POLYMER BLENDS CONTAINING THERMOPLASTIC AND CROSS-LINKED REACTION PRODUCT FROM POLYADDITION OR POLYCONDENSATION COVESTRO DEUTSCHLAND AG (DE) 2020-01-30 WO disclosed
EP-2748235-B1 PROCESS FOR PRODUCING MOULDED PARTS BASF SE (DE) 2017-12-20 EP disclosed
WO-2016150716-A1 METHOD FOR PRODUCING A THERMOPLASTIC, FIBRE-REINFORCED SEMI-FINISHED PRODUCT BASF SE (DE) 2016-09-29 WO disclosed
EP-2748235-A1 PROCESS FOR PRODUCING MOLDINGS BASF SE (DE) 2014-07-02 EP disclosed
WO-2013030103-A1 PROCESS FOR PRODUCING MOLDINGS BASF SE (DE) 2013-03-07 WO disclosed