SCHEMBL8519232

SCHEMBL8519232

CCON=C(C#N)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL8519230 1.00 PTGDR2 (0.38) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8395971 0.90 MAPT (0.42) PTGDR2ALDH1A1MAPTHTTTP53
SCHEMBL8395974 0.90 MAPT (0.42) PTGDR2ALDH1A1MAPTHTTTP53
SCHEMBL8369718 0.88 MEN1 (0.39) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8369716 0.88 MEN1 (0.39) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7537855 0.88 MEN1 (0.39) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8589597 0.86 SMN1; SMN2 (0.43) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8589595 0.86 SMN1; SMN2 (0.43) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8650053 0.84 ALDH1A1 (0.37) PTGDR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8397823 0.84 MRGPRX4 (0.45) PTGDR2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 — — EP disclosed
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 — — EP disclosed
EP-0658543-B1 PROCESS FOR PRODUCING ALPHA-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO (JP) 1998-01-07 — — EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 — — US disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 — — US disclosed
EP-0658543-A1 PROCESS FOR PRODUCING $g(a)-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 — — EP disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 — — EP disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 — — EP disclosed
Send feedback