SCHEMBL7322430

SCHEMBL7322430

O=C(O)CCC(O)c1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.45
▸ PTGDR Q13258 5/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ NSD1 Q96L73 1/20 0.37
▸ NSD3 Q9BZ95 1/20 0.37
▸ LPAR5 Q9H1C0 1/20 0.37
▸ HPSE Q9Y251 1/20 0.37

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
SCHEMBL11825598 0.87 PTGDR2 (0.45) PTGDR2PTGDRPTGER2S1PR1THRB
SCHEMBL11852757 0.86 PTGDR2 (0.44) PTGDR2PTGDRPTGER2S1PR1THRB
SCHEMBL11829313 0.85 PTGDR2 (0.41) PTGDR2PTGDRPTGER2S1PR1THRB
SCHEMBL7321177 0.85 PTGDR2 (0.42) PTGDR2PTGDRPTGER2S1PR1
SCHEMBL11848738 0.83 PTGDR2 (0.42) PTGDR2PTGDRPTGER2S1PR1THRB
SCHEMBL7313962 0.83 PTGDR2 (0.40) PTGDR2PTGDRPTGER2THRB
Hydrochloric Acid SCHEMBL11844291 0.82 PTGDR2 (0.41) PTGDR2PTGDRPTGER2S1PR1THRB
SCHEMBL11822909 0.81 PTGDR2 (0.41) PTGDR2PTGDRPTGER2S1PR1THRB
SCHEMBL11233583 0.81 SIGMAR1 (0.39) PTGDR2PTGDRPTGER2
SCHEMBL7317894 0.81 SLC18A3 (0.40) PTGDR2PTGDRPTGER2

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
CN-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 — — CN disclosed
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 — — US disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 — — CN disclosed
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