SCHEMBL11099876

SCHEMBL11099876

O=C1CCC(/C(C(=O)O)=C(\C(=O)O)C2=C(c3ccc(Cl)cc3Cl)C(=O)CC2)=C1c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.42
▸ SRD5A1 P18405 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ MARS1 P56192 5/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ERCC5 P28715 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ SHMT1 P34896 1/20 0.34
▸ SHMT2 P34897 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
SCHEMBL11099881 0.70 KMT2A (0.40) SRD5A2SRD5A1ALDH1A1ALPLSMN1; SMN2
SCHEMBL11092969 0.65 ALPL (0.39) ALPL
Acetic Acid SCHEMBL28550221 0.64 SRD5A1 (0.58) SRD5A2SRD5A1CASP1
SCHEMBL444367 0.63 SRD5A2 (0.90) SRD5A2SRD5A1ALDH1A1TP53TSHR
SCHEMBL8779218 0.63 SRD5A2 (0.68) SRD5A2SRD5A1ALDH1A1TP53ALPL
SCHEMBL464507 0.62 AHR (0.64) SRD5A2ALDH1A1TP53TSHRAHR
SCHEMBL29624840 0.62 AHR (0.64) SRD5A2ALDH1A1TP53TSHRAHR
SCHEMBL5120048 0.62 SRD5A1 (0.55) SRD5A2SRD5A1ALDH1A1TP53
SCHEMBL433539 0.61 AHR (0.52) SRD5A2ALDH1A1TP53TSHRAHR
SCHEMBL31029247 0.61 CASP1 (0.59) SRD5A2SRD5A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
Send feedback