SCHEMBL11670463

SCHEMBL11670463

CCN(c1ccccc1)C(C)OC(=O)Oc1cc(C)cc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TSPO P30536 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ CRHR1 P34998 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL11670905 0.92 KMT2A (0.40) KMT2AALDH1A1GLATSHRTSPO
SCHEMBL11671108 0.92 KDM4E (0.38) KMT2AALDH1A1GLATSHRSMN1; SMN2
SCHEMBL11670716 0.90 POLQ (0.38) KMT2AHPGDALDH1A1TSPOSMN1; SMN2
SCHEMBL11671594 0.90 LMNA (0.44) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL11671563 0.88 ALDH1A1 (0.41) KMT2AALDH1A1GLATSHRSMN1; SMN2
SCHEMBL11670856 0.88 KMT2A (0.38) KMT2AHPGDALDH1A1MEN1CRHR1
SCHEMBL11671701 0.88 TDP1 (0.42) KMT2AALDH1A1GLATSHRSMN1; SMN2
SCHEMBL11672289 0.87 MTNR1B (0.44) ALDH1A1
SCHEMBL11672067 0.87 S1PR1 (0.41) KMT2AHPGDALDH1A1NPSR1MAPT
Hydrochloric Acid SCHEMBL11671225 0.87 TDP1 (0.41) KMT2AALDH1A1GLATSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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