SCHEMBL8022505

SCHEMBL8022505

CC(C(=O)O)=C(Nc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ EPHX1 P07099 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL7758738 0.87 NAPRT (0.53) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL7758743 0.87 NAPRT (0.53) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL6665605 0.78 ALDH1A1 (0.46) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL6657756 0.78 ALDH1A1 (0.46) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL6657749 0.78 ALDH1A1 (0.46) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL8511248 0.78 NAPRT (0.61) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL8511246 0.78 NAPRT (0.61) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL3858962 0.77 ALDH1A1 (0.50) NAPRTHSD17B10KMT2AMEN1NPC1
SCHEMBL2638458 0.76 NAPRT (0.59) NAPRTHSD17B10KMT2ANPC1RAB9A
SCHEMBL10420669 0.76 NAPRT (0.59) NAPRTHSD17B10KMT2ANPC1RAB9A

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
EP-0278595-B2 Fungicides ZENECA LTD (GB) 2000-01-12 — — EP disclosed
EP-0472224-B1 Fungicides ZENECA LTD (GB) 1994-04-27 — — EP disclosed
EP-0472224-A1 Fungicides ZENECA LIMITED (GB) 1992-02-26 — — EP disclosed
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