SCHEMBL11841595

SCHEMBL11841595

ClCCOc1ccc2oc3ccc(OCCCl)cc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ ACSL1 P33121 2/20 0.43
▸ ACSL6 Q9UKU0 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MAOB P27338 11/20 0.41
▸ HRH3 Q9Y5N1 10/20 0.41
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ MAOA P21397 1/20 0.40

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
SCHEMBL11843741 0.89 ACSL1 (0.50) LMNAACSL1ACSL6MAOBHRH3
SCHEMBL1798871 0.81 SIGMAR1 (0.48) LMNAACSL1ACSL6NPC1MAPT
SCHEMBL5509147 0.80 SIGMAR1 (0.40) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL1795987 0.79 SIGMAR1 (0.53) LMNAACSL1ACSL6NPC1MAPT
Hydrochloric Acid SCHEMBL11827270 0.79 SIGMAR1 (0.47) LMNAACSL1ACSL6NPC1MAPT
SCHEMBL16809335 0.78 CA12 (0.51) LMNAACSL1ACSL6NPC1MAPT
SCHEMBL1795641 0.78 LMNA (0.49) LMNAACSL1ACSL6NPC1MAPT
SCHEMBL11832626 0.78 SIGMAR1 (0.59) LMNAACSL1ACSL6MAOBHRH3
SCHEMBL10910493 0.78 AHR (0.50) KDM4EALDH1A1HPGDMAOBHRH3
SCHEMBL346823 0.77 NR5A1 (0.51) LMNAACSL1ACSL6MAPTKDM4E

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-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — US disclosed
Send feedback