SCHEMBL9739312

SCHEMBL9739312

CON1C(C)(C)CC(c2ccc(C(=O)O)c(C3CC(C)(C)N(OC)C(C)(C)C3)c2C(=O)O)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CDC25B P30305 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7481228 0.90 KMT2A (0.36) TSHRKMT2AKDM4EMEN1MAPT
SCHEMBL9737841 0.88 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1
SCHEMBL316852 0.86 GAA (0.35) KMT2AKDM4EMAPTALDH1A1
SCHEMBL11164595 0.86 METAP2 (0.36)
SCHEMBL7479254 0.84 TSHR (0.31) TSHRKMT2AMAPT
SCHEMBL9374760 0.84 NPC1 (0.31) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL10576256 0.83 KDM4E (0.30) KDM4E
SCHEMBL17838616 0.82 GAA (0.32) KMT2AKDM4EALDH1A1
SCHEMBL9589149 0.81 MAPT (0.30) MAPT
SCHEMBL9589144 0.81 MAPT (0.30) MAPT

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
US-5096950-A N-alkoxypiperidines CIBA-GEIGY CORPORATION (US) 1992-03-17 US claimed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US claimed
US-5124378-A Resin containign N-Hydroxyl hindered amine oxidative and light stabilizers CIBA-GEIGY CORPORATION (US) 1992-06-23 US disclosed
US-5096950-A N-alkoxypiperidines CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5004770-A Light, heat, and oxygen resistant CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed