SCHEMBL6368356

SCHEMBL6368356

CCC[C@H]1CC[C@H](CCC2CCC(c3ccc(Cc4ccc(N)cc4)cc3)(c3ccc(Cc4ccc(N)cc4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 13/20 0.36
CYP2C9 P11712 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL6368359 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL5178327 0.97 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6363963 0.93 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6746619 0.93 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6363167 0.92 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6363169 0.92 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6363095 0.91 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6363093 0.91 CYP19A1 (0.39) ALDH1A1L3MBTL1CYP3A4TSHRTDP1
SCHEMBL6363187 0.90 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP3A4CYP19A1CYP2C9
SCHEMBL6367579 0.90 CYP19A1 (0.40) ALDH1A1L3MBTL1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949281-B1 Varnish composition and liquid-crystal display element CHISSO CORPORATION (JP) 2005-09-27 US disclosed
US-6746730-B1 VARNISH COMPOSITION WHICH COMPRISES POLYMER COMPONENT CONTAINING TWO DIFFERENT POLYAMIC ACIDS, SOLUBLE POLYIMIDE, AND SOLVENT FOR DISSOLVING POLYMER COMPONENT CHISSO CORPORATION (JP) 2004-06-08 US disclosed
US-6685997-B1 SOLUTION CONTAINING POLYAMIC ACIDS, POLYAMIDES AND POLYIMIDES; ALIGNMENT FILM; WELL BALANCED ELECTRICAL CHARACTERISTICS; ELIMINATES IMAGE STICKING CHISSO CORPORATION (JP) 2004-02-03 US disclosed