SCHEMBL7875274

SCHEMBL7875274

CC(C)(NCC1CO1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.32
CYP19A1 P11511 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALOX12 P18054 1/20 0.32
PRCP P42785 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
SCHEMBL7910319 0.69 NPSR1 (0.46) NPSR1KMT2AMEN1TSHRCYP1A2
SCHEMBL27294490 0.68 NPSR1 (0.44) NPSR1KMT2AMEN1TSHRCYP1A2
SCHEMBL13965862 0.68 NPSR1 (0.44) NPSR1KMT2AMEN1TSHRCYP1A2
SCHEMBL10592098 0.67
SCHEMBL13975752 0.67 SMN1; SMN2 (0.54) NPSR1KMT2AMEN1HPGDCYP1A2
SCHEMBL20788472 0.67 MIF (0.52) NPSR1KMT2AMEN1MAPTCYP1A2
SCHEMBL2588682 0.67 KMT2A (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL932900 0.66 HPGD (0.51) KMT2AMEN1TSHRHPGDTP53
SCHEMBL16641019 0.66 HPGD (0.51) KMT2AMEN1TSHRHPGDTP53
Hydrochloric Acid SCHEMBL28132001 0.65 ALDH1A1 (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed