SCHEMBL11802986

SCHEMBL11802986

CCc1cc(NCC(CC)N(C)C)ccc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KAT2B Q92831 3/20 0.36
▸ NOX4 Q9NPH5 2/20 0.35
▸ CAMKK2 Q96RR4 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ USP2 O75604 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 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
SCHEMBL524508 0.78 MAPT (0.36) ALDH1A1NOX4CAMKK2MAPTRGS12
SCHEMBL11523096 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ENOX4CAMKK2MAPT
SCHEMBL524509 0.73 MCL1 (0.39) ALDH1A1NOX4CAMKK2MAPTRGS12
SCHEMBL8856987 0.73 GABRP (0.42) ALDH1A1KDM4ENOX4CAMKK2MAPT
SCHEMBL5025350 0.73 PLK1 (0.49) MAPTBCL2L1MCL1KDM4CMAPK1
SCHEMBL9309430 0.73 KDM4C (0.43) ALDH1A1KDM4ENOX4CAMKK2MAPT
Hydrochloric Acid SCHEMBL9132950 0.72 HPGD (0.48) ALDH1A1KDM4ERAB9AKAT2BMAPT
SCHEMBL1839262 0.71 MAPT (0.54) ALDH1A1KDM4ERAB9ANOX4CAMKK2
SCHEMBL31479884 0.71 KAT2B (0.48) ALDH1A1KAT2BMAPTTDP1MEN1
Hydrochloric Acid SCHEMBL8785708 0.70 MAPT (0.53) ALDH1A1KDM4ERAB9ANOX4CAMKK2

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-3978201-A BASE FOR OPHTHALMOLOGICAL MEDICINAL PREPARATION ON OPTHALMOLOGICAL MEDICINAL FILM KHROMOV GENNADY LVOVICH 1976-08-31 — — US disclosed
US-3935303-A Base for ophthalmological medicinal preparations and on ophthalmological medicinal film KHROMOV GENNADY LVOVICH 1976-01-27 — — US disclosed
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